SCHEMBL10334698

SCHEMBL10334698

COC(C(=O)OCc1ccc(C)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
P2RX4 Q99571 1/20 0.43
PTPN1 P18031 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP12 P39900 3/20 0.42
MMP2 P08253 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MAOB P27338 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPY1R P25929 1/20 0.41
ADORA2A P29274 1/20 0.41
RECQL P46063 1/20 0.41
NPY2R P49146 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9292333 0.91 ALDH1A1 (0.53) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9292666 0.87 ALDH1A1 (0.47) NPC1RAB9AALDH1A1MAPTP2RX4
SCHEMBL10334682 0.87 ATM (0.49) NPC1RAB9AALDH1A1P2RX4KMT2A
SCHEMBL10334861 0.87 KMT2A (0.45) ALDH1A1MAPTLMNAPTPN1MEN1
SCHEMBL10335652 0.85 POLB (0.48) ALDH1A1MEN1KMT2AMMP12MMP2
SCHEMBL10334788 0.82 RAB9A (0.50) NPC1RAB9AALDH1A1MAPTMAOB
SCHEMBL341296 0.81 PIN1 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10334657 0.80 PRKCA (0.47) ALDH1A1MAPTLMNAPTPN1MEN1
SCHEMBL10334913 0.79 MAOB (0.44) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10334676 0.79 SLC1A3 (0.40) ALDH1A1LMNAPTPN1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed